SCHEMBL456009

SCHEMBL456009

CC1(C)OB(c2ccc(C3OCCO3)cc2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPL P06858 12/20 0.49
LIPG Q9Y5X9 12/20 0.49
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA9 Q16790 2/20 0.41
CA12 O43570 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
F11 P03951 2/20 0.41
ESR2 Q92731 1/20 0.38
P4HB P07237 1/20 0.36
F2 P00734 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20513152 0.86 NPC1 (0.48) LPLLIPGCA1CA2CA9
SCHEMBL26102021 0.82 DGAT1 (0.47) LPLLIPG
SCHEMBL30392753 0.82 DGAT1 (0.47) LPLLIPG
SCHEMBL9927901 0.81 LIPG (0.52) LPLLIPGCA1CA2CA9
SCHEMBL17548453 0.81 LPL (0.47) LPLLIPGCA1CA2CA9
SCHEMBL19471858 0.80 LIPG (0.44) LPLLIPG
SCHEMBL31353257 0.79 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL31353381 0.79 LPL (0.42) LPLLIPGCA1CA2CA9
SCHEMBL17355532 0.79 LIPG (0.48) LPLLIPGCA1CA2CA9
SCHEMBL228212 0.78 LPL (0.71) LPLLIPGCA1CA2CA9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 EP disclosed
US-9139494-B2 Triphenylene hosts in phosphorescent light emitting diodes UNIVERSAL DISPLAY CORPORATION (US) 2015-09-22 US disclosed
US-9139494-B2 Triphenylene hosts in phosphorescent light emitting diodes UNIVERSAL DISPLAY CORPORATION (US) 2015-09-22 US disclosed
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-19 US disclosed
US-8580404-B2 Triphenylene hosts in phosphorescent light emitting diodes UNIVERSAL DISPLAY CORPORATION (US) 2013-11-12 US disclosed
US-8580404-B2 Triphenylene hosts in phosphorescent light emitting diodes UNIVERSAL DISPLAY CORPORATION (US) 2013-11-12 US disclosed
EP-2614063-A1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Intellectual Property GmbH (DE) 2013-07-17 EP disclosed
US-20130001538-A1 Triphenylene Hosts in Phosphorescent Light Emitting Diodes UNIVERSAL DISPLAY CORPORATION (US) 2013-01-03 US disclosed
US-20130001538-A1 Triphenylene Hosts in Phosphorescent Light Emitting Diodes UNIVERSAL DISPLAY CORPORATION (US) 2013-01-03 US disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 WO disclosed
US-20120032156-A1 Triphenylene Hosts in Phosphorescent Light Emitting Diodes UNIVERSAL DISPLAY CORPORATION 2012-02-09 US disclosed
US-20120032156-A1 Triphenylene Hosts in Phosphorescent Light Emitting Diodes UNIVERSAL DISPLAY CORPORATION 2012-02-09 US disclosed
US-8092924-B2 Triphenylene hosts in phosphorescent light emitting diodes UNIVERSAL DISPLAY CORPORATION (US) 2012-01-10 US disclosed
US-8092924-B2 Triphenylene hosts in phosphorescent light emitting diodes UNIVERSAL DISPLAY CORPORATION (US) 2012-01-10 US disclosed
EP-2277978-A2 Triphenylene hosts in phosphorescent light emitting diodes Universal Display Corporation (US) 2011-01-26 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BUB1, TTBK1, BUB1B LPL 4193/4885LIPG 2189/4885CA1 4722/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.